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Compound Detail

CHEMBL152455

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CN(C(=O)CN1C(=O)C(NC(=O)Nc2ccccc2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL152455
Phase Preclinical
Structure Type MOL
InChI Key HKTUHTVDHWYASZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

533.6
MW (Da)
4.55
ALogP
4
HBA
2
HBD
102.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H27N5O4
MW 533.59
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
8558528 10.1021/jm950626d Cavia porcellus 2
18289857 10.1016/j.bmc.2007.12.047 Cholecystokinin receptor type A 2

Data from ChEMBL 36 via Core Engine